(2-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

C17H19N3O2 — CID 800911

IUPAC(2-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCOc1ccccc1C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H19N3O2/c1-22-15-7-3-2-6-14(15)17(21)20-12-10-19(11-13-20)16-8-4-5-9-18-16/h2-9H,10-13H2,1H3
InChIKeyGURMGIOPAOSVHN-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.05
Rot. Bonds3

About (2-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

(2-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 800911) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is (2-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID800911
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name(2-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCOc1ccccc1C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H19N3O2/c1-22-15-7-3-2-6-14(15)17(21)20-12-10-19(11-13-20)16-8-4-5-9-18-16/h2-9H,10-13H2,1H3
InChIKeyGURMGIOPAOSVHN-UHFFFAOYSA-N
XLogP2.05
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (2-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 800911) is (2-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is COc1ccccc1C(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (2-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is GURMGIOPAOSVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-22-15-7-3-2-6-14(15)17(21)20-12-10-19(11-13-20)16-8-4-5-9-18-16/h2-9H,10-13H2,1H3.
What are the key properties of (2-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(2-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 297.36 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 800911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).